Geometry & MOs

Info

ID:	72019
PubChem CID:	48415722
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	7.23
Dipole, Da:	3.2
IP(EA), eV:	-8.99(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

DOS

IR

Vibrations